2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

C16H18F3N3O4 — CID 3153075

IUPAC2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2N=C(C(C)C)CC2(O)C(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O4/c1-9(2)12-8-15(25,16(17,18)19)22(21-12)14(24)13(23)20-10-4-6-11(26-3)7-5-10/h4-7,9,25H,8H2,1-3H3,(H,20,23)
InChIKeyCYUXMFZLEXGGTG-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.13
Rot. Bonds3

About 2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide

2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 3153075) has the molecular formula C16H18F3N3O4 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID3153075
Molecular FormulaC16H18F3N3O4
Molecular Weight373.33 g/mol
Exact Mass373.12
IUPAC Name2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2N=C(C(C)C)CC2(O)C(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O4/c1-9(2)12-8-15(25,16(17,18)19)22(21-12)14(24)13(23)20-10-4-6-11(26-3)7-5-10/h4-7,9,25H,8H2,1-3H3,(H,20,23)
InChIKeyCYUXMFZLEXGGTG-UHFFFAOYSA-N
XLogP2.13
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-(1,1-difluoroethyl)phenyl)-1-(4-methoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-carboxamide
CID 139443232
N-[3-(1,1-difluoropropyl)phenyl]-1-(4-methoxyphenyl)-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
CID 139443022
2-(5-Hydroxy-3-isopropyl-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-N-(2-methoxy-phenyl)-2-oxo-acetamide
CID 2957832
2-(3-Ethyl-5-hydroxy-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-N-(2-methoxy-phenyl)-2-oxo-acetamide
CID 3157083
2-(3-Ethyl-5-hydroxy-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-N-(4-methoxy-phenyl)-2-oxo-acetamide
CID 3153074
2-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 3153076
2-[(4-methoxyphenyl)amino]-N'-(3-methylcyclohexylidene)acetohydrazide
CID 5772081
N-[(E)-cyclohexylmethylideneamino]-2-(4-methoxyanilino)acetamide
CID 9653270
2-(4-methoxyanilino)-N-[(4-propylcyclohexylidene)amino]acetamide
CID 3504576
2-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-2-oxoacetamide
CID 57440653
2-(3,4-dimethyl-6-oxopyridazin-1(6H)-yl)-N-(4-methoxyphenyl)acetamide
CID 56922941
5-Methyl-2-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-pyrazol-3-one
CID 14231239

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (CID 3153075) is 2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)N2N=C(C(C)C)CC2(O)C(F)(F)F)cc1.
What is the InChIKey of 2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is CYUXMFZLEXGGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4/c1-9(2)12-8-15(25,16(17,18)19)22(21-12)14(24)13(23)20-10-4-6-11(26-3)7-5-10/h4-7,9,25H,8H2,1-3H3,(H,20,23).
What are the key properties of 2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide?
2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 373.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 3153075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).